HMDB0302539 RDKit 3D Neobyakangelicol 39 41 0 0 0 0 0 0 0 0999 V2000 4.8294 0.9716 -0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9262 0.0740 -0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 -1.0795 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5205 0.2507 -0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6862 0.4297 0.6719 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0006 -0.8764 -1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -0.7236 -1.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4584 -0.5287 -1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2155 -1.5949 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0206 -2.8964 -0.7808 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 -3.5055 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9349 -2.5883 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 -1.3487 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -0.0827 0.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0643 0.1009 0.9011 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1404 0.2145 2.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1048 0.9886 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 2.2650 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7914 3.3128 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6149 3.0042 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 3.9658 -1.4983 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2257 1.7904 -1.2876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9015 0.7508 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 1.8358 -0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8854 0.8874 -0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -1.7301 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1103 -1.6841 0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9848 -0.7493 1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4327 1.1746 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 0.1355 1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -1.8140 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6848 -1.0821 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1953 -4.5767 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8647 -2.7349 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2068 -0.7826 2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0818 0.7531 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 0.7267 2.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4906 2.4197 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0961 4.3268 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 8 1 0 13 9 1 0 23 17 2 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 11 33 1 0 12 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 M END